5-[5-(morpholin-2-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide

C26H29N7O4S — CID 70155987

IUPAC5-[5-(morpholin-2-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
SMILESO=C(Nc1cccc2c1C(=O)c1c-2n[nH]c1-c1ccc(C(=O)NCCN2CCCC2)s1)NC1CNCCO1
InChIInChI=1S/C26H29N7O4S/c34-24-20-15(4-3-5-16(20)29-26(36)30-19-14-27-9-13-37-19)22-21(24)23(32-31-22)17-6-7-18(38-17)25(35)28-8-12-33-10-1-2-11-33/h3-7,19,27H,1-2,8-14H2,(H,28,35)(H,31,32)(H2,29,30,36)
InChIKeyHMPNVNPDFZIIIP-UHFFFAOYSA-N
MW535.63 g/mol
LogP2.24
Rot. Bonds7

About 5-[5-(morpholin-2-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide

5-[5-(morpholin-2-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide (PubChem CID 70155987) has the molecular formula C26H29N7O4S and a molecular weight of 535.63 g/mol. Its IUPAC name is 5-[5-(morpholin-2-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[5-(morpholin-2-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
PubChem CID70155987
Molecular FormulaC26H29N7O4S
Molecular Weight535.63 g/mol
Exact Mass535.20
IUPAC Name5-[5-(morpholin-2-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
SMILESO=C(Nc1cccc2c1C(=O)c1c-2n[nH]c1-c1ccc(C(=O)NCCN2CCCC2)s1)NC1CNCCO1
InChIInChI=1S/C26H29N7O4S/c34-24-20-15(4-3-5-16(20)29-26(36)30-19-14-27-9-13-37-19)22-21(24)23(32-31-22)17-6-7-18(38-17)25(35)28-8-12-33-10-1-2-11-33/h3-7,19,27H,1-2,8-14H2,(H,28,35)(H,31,32)(H2,29,30,36)
InChIKeyHMPNVNPDFZIIIP-UHFFFAOYSA-N
XLogP2.24
TPSA140.48 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.63
LogP ≤ 52.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(morpholin-2-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 5-[5-(morpholin-2-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide (CID 70155987) is 5-[5-(morpholin-2-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[5-(morpholin-2-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-[5-(morpholin-2-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide is O=C(Nc1cccc2c1C(=O)c1c-2n[nH]c1-c1ccc(C(=O)NCCN2CCCC2)s1)NC1CNCCO1.
What is the InChIKey of 5-[5-(morpholin-2-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide?
The InChIKey is HMPNVNPDFZIIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O4S/c34-24-20-15(4-3-5-16(20)29-26(36)30-19-14-27-9-13-37-19)22-21(24)23(32-31-22)17-6-7-18(38-17)25(35)28-8-12-33-10-1-2-11-33/h3-7,19,27H,1-2,8-14H2,(H,28,35)(H,31,32)(H2,29,30,36).
What are the key properties of 5-[5-(morpholin-2-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide?
5-[5-(morpholin-2-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide has a molecular weight of 535.63 g/mol, XLogP of 2.24, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(morpholin-2-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 70155987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).